3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H24N4 — CID 50746501

IUPAC3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCC(C)C)n2nc(-c3ccccc3)c(C)c2n1
InChIInChI=1S/C19H24N4/c1-13(2)10-11-20-17-12-14(3)21-19-15(4)18(22-23(17)19)16-8-6-5-7-9-16/h5-9,12-13,20H,10-11H2,1-4H3
InChIKeyWZJCEAXUVNTBBK-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.47
Rot. Bonds5

About 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 50746501) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID50746501
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCC(C)C)n2nc(-c3ccccc3)c(C)c2n1
InChIInChI=1S/C19H24N4/c1-13(2)10-11-20-17-12-14(3)21-19-15(4)18(22-23(17)19)16-8-6-5-7-9-16/h5-9,12-13,20H,10-11H2,1-4H3
InChIKeyWZJCEAXUVNTBBK-UHFFFAOYSA-N
XLogP4.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680
2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299275
3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 50746549
2-[2-[[2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
CID 46299423
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51970925
2-[(2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl-dimethylazanium
CID 7619003
N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299381
N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299374
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913756
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 7174902

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 50746501) is 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCC(C)C)n2nc(-c3ccccc3)c(C)c2n1.
What is the InChIKey of 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WZJCEAXUVNTBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-13(2)10-11-20-17-12-14(3)21-19-15(4)18(22-23(17)19)16-8-6-5-7-9-16/h5-9,12-13,20H,10-11H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 308.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 50746501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).